ethane;methane;octadecanoic acid

C21H46O2 — CID 160893009

IUPACethane;methane;octadecanoic acid
SMILESC.CC.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C2H6.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);1-2H3;1H4
InChIKeySONCALJSHVSHFD-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.99
Rot. Bonds16

About ethane;methane;octadecanoic acid

ethane;methane;octadecanoic acid (PubChem CID 160893009) has the molecular formula C21H46O2 and a molecular weight of 330.60 g/mol. Its IUPAC name is ethane;methane;octadecanoic acid.

Molecular Properties

Compound Nameethane;methane;octadecanoic acid
PubChem CID160893009
Molecular FormulaC21H46O2
Molecular Weight330.60 g/mol
Exact Mass330.35
IUPAC Nameethane;methane;octadecanoic acid
SMILESC.CC.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C2H6.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);1-2H3;1H4
InChIKeySONCALJSHVSHFD-UHFFFAOYSA-N
XLogP7.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;bis(tetradecanoic acid)
CID 160722701
heptanoic acid;methane
CID 159146715
decanoic acid
CID 173247116
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of ethane;methane;octadecanoic acid?
The IUPAC name of ethane;methane;octadecanoic acid (CID 160893009) is ethane;methane;octadecanoic acid.
What is the SMILES notation for ethane;methane;octadecanoic acid?
The canonical SMILES for ethane;methane;octadecanoic acid is C.CC.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethane;methane;octadecanoic acid?
The InChIKey is SONCALJSHVSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H6.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2;/h2-17H2,1H3,(H,19,20);1-2H3;1H4.
What are the key properties of ethane;methane;octadecanoic acid?
ethane;methane;octadecanoic acid has a molecular weight of 330.60 g/mol, XLogP of 7.99, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;octadecanoic acid is sourced from PubChem (CID 160893009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).